CID 81341785

3-[(3-methyl-1h-pyrazol-5-yl)oxy]propan-1-amine dihydrochloride

Structural Information

Molecular Formula
C7H13N3O
SMILES
CC1=CC(=NN1)OCCCN
InChI
InChI=1S/C7H13N3O/c1-6-5-7(10-9-6)11-4-2-3-8/h5H,2-4,8H2,1H3,(H,9,10)
InChIKey
PDGHHTQEFCPEGH-UHFFFAOYSA-N
Compound name
3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.10587 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.11315 132.9
[M+Na]+ 178.09509 140.7
[M-H]- 154.09859 132.1
[M+NH4]+ 173.13969 152.0
[M+K]+ 194.06903 138.5
[M+H-H2O]+ 138.10313 125.8
[M+HCOO]- 200.10407 155.4
[M+CH3COO]- 214.11972 175.4
[M+Na-2H]- 176.08054 137.9
[M]+ 155.10532 131.9
[M]- 155.10642 131.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.